N-[2-[[2-(2,4-dimethylphenoxy)acetyl]amino]ethyl]-3,3-dimethylbutanamide

C18H28N2O3 — CID 108571573

IUPACN-[2-[[2-(2,4-dimethylphenoxy)acetyl]amino]ethyl]-3,3-dimethylbutanamide
SMILESCc1ccc(OCC(=O)NCCNC(=O)CC(C)(C)C)c(C)c1
InChIInChI=1S/C18H28N2O3/c1-13-6-7-15(14(2)10-13)23-12-17(22)20-9-8-19-16(21)11-18(3,4)5/h6-7,10H,8-9,11-12H2,1-5H3,(H,19,21)(H,20,22)
InChIKeyYRKBZGZOUDYUEG-UHFFFAOYSA-N
MW320.43 g/mol
LogP2.35
Rot. Bonds7

About N-[2-[[2-(2,4-dimethylphenoxy)acetyl]amino]ethyl]-3,3-dimethylbutanamide

N-[2-[[2-(2,4-dimethylphenoxy)acetyl]amino]ethyl]-3,3-dimethylbutanamide (PubChem CID 108571573) has the molecular formula C18H28N2O3 and a molecular weight of 320.43 g/mol. Its IUPAC name is N-[2-[[2-(2,4-dimethylphenoxy)acetyl]amino]ethyl]-3,3-dimethylbutanamide.

Molecular Properties

Compound NameN-[2-[[2-(2,4-dimethylphenoxy)acetyl]amino]ethyl]-3,3-dimethylbutanamide
PubChem CID108571573
Molecular FormulaC18H28N2O3
Molecular Weight320.43 g/mol
Exact Mass320.21
IUPAC NameN-[2-[[2-(2,4-dimethylphenoxy)acetyl]amino]ethyl]-3,3-dimethylbutanamide
SMILESCc1ccc(OCC(=O)NCCNC(=O)CC(C)(C)C)c(C)c1
InChIInChI=1S/C18H28N2O3/c1-13-6-7-15(14(2)10-13)23-12-17(22)20-9-8-19-16(21)11-18(3,4)5/h6-7,10H,8-9,11-12H2,1-5H3,(H,19,21)(H,20,22)
InChIKeyYRKBZGZOUDYUEG-UHFFFAOYSA-N
XLogP2.35
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.43
LogP ≤ 52.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-(4-tert-butyl-2-methylphenoxy)-N-[2-[[2-(4-tert-butyl-2-methylphenoxy)acetyl]amino]ethyl]acetamide
CID 5014874
N-butyl-2-(2,4-dimethylphenoxy)acetamide
CID 17142931
N-[2-[[2-(4-chloro-3,5-dimethylphenoxy)acetyl]amino]ethyl]-2-(2,4-dimethylphenoxy)acetamide
CID 108539806
2-(2,4-dimethylphenoxy)-N-ethylacetamide
CID 965411
2-(2,4-dimethylphenoxy)-N-[2-(ethylsulfonylamino)ethyl]acetamide
CID 38427451
N-tert-butyl-2-(2,4-dimethylphenoxy)acetamide
CID 965412
N-[2-[[2-(2,4-dimethylphenoxy)acetyl]amino]ethyl]-5-methyl-1,2-oxazole-3-carboxamide
CID 108571566
2-(2,4-dimethylphenoxy)-N-[2-(2-methoxy-5-methylphenyl)ethyl]acetamide
CID 26457209
prop-2-enyl N-[2-[[2-(2,4-dimethylphenoxy)acetyl]amino]ethyl]carbamate
CID 108571580
3-cyclohexyl-N-[2-[[2-(2,4-dimethylphenoxy)acetyl]amino]ethyl]propanamide
CID 108539833
2-(2,4-dimethylphenoxy)-N-methylacetamide
CID 965410
2-[[2-(2,4-dimethylphenoxy)acetyl]amino]acetate
CID 7275245

Frequently Asked Questions

What is the IUPAC name of N-[2-[[2-(2,4-dimethylphenoxy)acetyl]amino]ethyl]-3,3-dimethylbutanamide?
The IUPAC name of N-[2-[[2-(2,4-dimethylphenoxy)acetyl]amino]ethyl]-3,3-dimethylbutanamide (CID 108571573) is N-[2-[[2-(2,4-dimethylphenoxy)acetyl]amino]ethyl]-3,3-dimethylbutanamide.
What is the SMILES notation for N-[2-[[2-(2,4-dimethylphenoxy)acetyl]amino]ethyl]-3,3-dimethylbutanamide?
The canonical SMILES for N-[2-[[2-(2,4-dimethylphenoxy)acetyl]amino]ethyl]-3,3-dimethylbutanamide is Cc1ccc(OCC(=O)NCCNC(=O)CC(C)(C)C)c(C)c1.
What is the InChIKey of N-[2-[[2-(2,4-dimethylphenoxy)acetyl]amino]ethyl]-3,3-dimethylbutanamide?
The InChIKey is YRKBZGZOUDYUEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2O3/c1-13-6-7-15(14(2)10-13)23-12-17(22)20-9-8-19-16(21)11-18(3,4)5/h6-7,10H,8-9,11-12H2,1-5H3,(H,19,21)(H,20,22).
What are the key properties of N-[2-[[2-(2,4-dimethylphenoxy)acetyl]amino]ethyl]-3,3-dimethylbutanamide?
N-[2-[[2-(2,4-dimethylphenoxy)acetyl]amino]ethyl]-3,3-dimethylbutanamide has a molecular weight of 320.43 g/mol, XLogP of 2.35, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[[2-(2,4-dimethylphenoxy)acetyl]amino]ethyl]-3,3-dimethylbutanamide is sourced from PubChem (CID 108571573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).